MDBind 2bgr 2

Molecular system

Starting structure: 2BGRPDB 2BGR(opens in a new tab)
Force field: Amber ff14SB, GAFFTIP3P
Engine: Amber 20
Method: Classical MD
Timestep: 2 fs
Frames: 500
Composition: Molecules of interest
ProteinProtein · 1 chain23,328 atoms1,458 residues
OtherOther46 atoms
Total23,374 atoms1,459 residues
Box dimensions: a14.675nm
b9.7nm
c11.127nm

Sequences

Sequence 1Protein · 729 residues

DSRKTYTLTD YLKNTYRLKL YSLRWISDHE YLYKQENNIL VFNAEYGNSS VFLENSTFDE FGHSINDYSI SPDGQFILLE YNYVKQWRHS YTASYDIYDL NKRQLITEER IPNNTQWVTW SPVGHKLAYV WNNDIYVKIE PNLPSYRITW TGKEDIIYNG ITDWVYEEEV FSAYSALWWS PNGTFLAYAQ FNDTEVPLIE YSFYSDESLQ YPKTVRVPYP KAGAVNPTVK FFVVNTDSLS SVTNATSIQI TAPASMLIGD HYLCDVTWAT QERISLQWLR RIQNYSVMDI CDYDESSGRW NCLVARQHIE MSTTGWVGRF RPSEPHFTLD GNSFYKIISN EEGYRHICYF QIDKKDCTFI TKGTWEVIGI EALTSDYLYY ISNEYKGMPG GRNLYKIQLS DYTKVTCLSC ELNPERCQYY SVSFSKEAKY YQLRCSGPGL PLYTLHSSVN DKGLRVLEDN SALDKMLQNV QMPSKKLDFI ILNETKFWYQ MILPPHFDKS KKYPLLLDVY AGPCSQKADT VFRLNWATYL ASTENIIVAS FDGRGSGYQG DKIMHAINRR LGTFEVEDQI EAARQFSKMG FVDNKRIAIW GWSYGGYVTS MVLGSGSGVF KCGIAVAPVS RWEYYDSVYT ERYMGLPTPE DNLDHYRNST VMSRAENFKQ VEYLLIHGTA DDNVHFQQSA QISKALVDVG VDFQAMWYTD EDHGIASSTA HQHIYTHMSH FIKQCFSLP

Run	Outputs
replica 1	Trajectory Analyses
replica 2	Trajectory Analyses
replica 3	Trajectory Analyses
replica 4	Trajectory Analyses
replica 5	Trajectory Analyses
replica 6	Trajectory Analyses
replica 7	Trajectory Analyses
replica 8	Trajectory Analyses
replica 9	Trajectory Analyses
replica 10	Trajectory Analyses

Files

35 files · 411 MB

All files411 MB

trajectory.binBIN
pca_trajectory_01.binBIN
pca_trajectory_02.binBIN
pca_trajectory_03.binBIN
pca_trajectory_04.binBIN
pca_trajectory_05.binBIN
pca_trajectory_06.binBIN
pca_trajectory_07.binBIN
pca_trajectory_08.binBIN
pca_trajectory_09.binBIN

Description

Molecular system

Sequences

Experiments

Files

Contributors